Geometry & MOs

Info

ID:	174405
PubChem CID:	75761136
Reduced:	N3O4C29H37 (1)
Stoich.:	A3B4C29D37 (1)
Weight, g/mol:	410.293328
ΔH_f, kcal/mol:	-70.68
Dipole, Da:	7.28
IP(EA), eV:	-9.83(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(tert-butylamino)-1-oxopent-3-en-2-yl]-2,6,6-trimethyl-N-phenylbicyclo[3.1.1]heptane-3-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])N(C2=CC=CC=C2)C(=O)C3CC4CC(C3C)C4(C)C

DOS

IR

Vibrations